SCHEMBL3136284

SCHEMBL3136284

Fc1cccc(-c2cnc3[nH]ccc3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 15/20 0.71
AXL P30530 3/20 0.71
MAP4K4 O95819 3/20 0.63
CDK1 P06493 3/20 0.63
ROS1 P08922 3/20 0.63
FER P16591 3/20 0.63
FLT4 P35916 3/20 0.63
KDR P35968 3/20 0.63
IRAK1 P51617 3/20 0.63
ROCK1 Q13464 3/20 0.63
PKN2 Q16513 3/20 0.63
MARK2 Q7KZI7 3/20 0.63
MINK1 Q8N4C8 3/20 0.63
AURKB Q96GD4 3/20 0.63
SLK Q9H2G2 3/20 0.63
MKNK2 Q9HBH9 3/20 0.63
STK17A Q9UEE5 3/20 0.63
MAP4K5 Q9Y4K4 3/20 0.63
CDK7 P50613 2/20 0.63
PLK4 O00444 2/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13854148 0.87 CDK8 (0.65) CDK8AXLMAP4K4CDK1ROS1
SCHEMBL4831501 0.84 CDK8 (0.81) CDK8AXLMAP4K4CDK1ROS1
SCHEMBL413503 0.83 RIPK1 (0.71) CDK8AXLMAP4K4CDK1ROS1
SCHEMBL410704 0.83 CDK8 (1.00) CDK8AXLMAP4K4CDK1ROS1
SCHEMBL857125 0.83 CDK8 (0.69) CDK8AXLMAP4K4CDK1ROS1
SCHEMBL857038 0.83 CDK8 (0.69) CDK8AXLMAP4K4CDK1ROS1
SCHEMBL4165829 0.83 RIPK1 (0.69) CDK8AXLMAP4K4CDK1ROS1
SCHEMBL31064962 0.83 RIPK1 (0.69) CDK8AXLMAP4K4CDK1ROS1
SCHEMBL13854147 0.81 RIPK1 (0.62) CDK8AXLMAP4K4CDK1ROS1
SCHEMBL857265 0.80 RIPK1 (0.57) CDK8AXLMAP4K4CDK1ROS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633750-B1 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES EISAI R&D MAN CO LTD (JP) 2010-12-01 EP disclosed
EP-1490365-B1 AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES EISAI R&D MAN CO LTD (JP) 2010-02-10 EP disclosed
EP-1490365-B1 AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES EISAI R&D MAN CO LTD (JP) 2010-02-10 EP disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-20090306126-A1 Indole Derivatives ASTRAZENECA AB (SE) 2009-12-10 US disclosed
CN-101448827-A Indole derivatives ASTRAZENECA AB (SE) 2009-06-03 CN disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 US disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 US disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 US disclosed
US-7291630-B2 Azaindoles as inhibitors of c-Jun N-terminal kinases EISAI CO., LTD. (JP) 2007-11-06 US disclosed
US-7291630-B2 Azaindoles as inhibitors of c-Jun N-terminal kinases EISAI CO., LTD. (JP) 2007-11-06 US disclosed
US-7291630-B2 Azaindoles as inhibitors of c-Jun N-terminal kinases EISAI CO., LTD. (JP) 2007-11-06 US disclosed
EP-1490364-B1 7-AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS EISAI R&D MAN CO LTD (JP) 2007-09-26 EP disclosed
US-20060235042-A1 Synthesis EISAI CO., LTD. (JP) 2006-10-19 US disclosed
US-20060111390-A1 Azaindoles as inhibitors of c-jun n-terminal kinases EISAI CO., LTD. (JP) 2006-05-25 US disclosed
US-20050272761-A1 7-azaindoles as inhibitors of c-jun n-terminal kinases for the treatment of neurodegenerative disorders EISAI CO., LTD. (JP) 2005-12-08 US disclosed
EP-1490364-A1 7-AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Eisai Co., Ltd. (JP) 2004-12-29 EP disclosed
EP-1490365-A1 AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES Eisai Co., Ltd. (JP) 2004-12-29 EP disclosed
WO-2003082868-A1 7-AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS EISAI CO., LTD. (JP) 2003-10-09 WO disclosed
WO-2003082869-A1 AZAINDOLES AS INHIBITORS OF C-JUN N-TERMINAL KINASES EISAI CO., LTD. (JP) 2003-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050272761-A1 7-azaindoles as inhibitors of c-jun n-terminal kinases for the treatment of neurodegenerative disorders API5, MAPKAPK5, MAP3K5 CDK8 132/4885AXL 3108/4885MAP4K4 90/4885
US-20060111390-A1 Azaindoles as inhibitors of c-jun n-terminal kinases API5, CDK5, AZI2 CDK8 148/4885AXL 2369/4885MAP4K4 136/4885
US-20060235042-A1 Synthesis AZI2, CYP3A5, CYP3A7 CDK8 422/4885AXL 4652/4885MAP4K4 1772/4885
US-20090306126-A1 Indole Derivatives MTOR, IDO1, AKT1S1 CDK8 450/4885AXL 1246/4885MAP4K4 465/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.